SCHEMBL2610208

SCHEMBL2610208

CN1CCN(c2ccc3c(c2)[C@H](NC(=O)c2ccc(F)cc2)[C@@H](O)CC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.57
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 6/20 0.43
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
F10 P00742 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
BRD4 O60885 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2113359 0.90 CTSS (0.53) CTSSLMNATP53SMN1; SMN2CHRM1
SCHEMBL2610207 0.89 CHRM1 (0.53) CTSSNPC1LMNATP53RAB9A
SCHEMBL2610209 0.89 CTSS (0.52) CTSSNPC1TP53RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2115298 0.88 CTSS (0.51) CTSSNPC1TP53RAB9ASMN1; SMN2
SCHEMBL2610206 0.86 CTSS (0.47) CTSSNPC1LMNATP53RAB9A
SCHEMBL2114397 0.86 CTSS (0.73) CTSSCHRM1CHRM2CHRM4HTR1A
SCHEMBL2114310 0.86 CTSS (0.53) CTSSLMNASMN1; SMN2
SCHEMBL2610210 0.83 CTSS (0.49) CTSSNPC1TP53RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2113656 0.82 CTSS (0.48) CTSSNPC1TP53RAB9ASMN1; SMN2
SCHEMBL2726067 0.81 CTSS (0.69) CTSSCHRM1CHRM2CHRM4HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV CTSS 1/4885NPC1 327/4885LMNA 718/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.